Geometry & MOs

Info

ID:	41892
PubChem CID:	8147671
Reduced:	ON3C19H22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	30.46
Dipole, Da:	8.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764476
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=CC=CC=C1)[NH2+]CC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations